[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide

C28H39N2- — CID 23523221

IUPAC[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
SMILESC=C([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H39N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,9H2,1-8,10H3/q-1/b30-22+
InChIKeyQBNGVWCSBITSFK-JBASAIQMSA-N
MW403.63 g/mol
LogP9.49
Rot. Bonds8

About [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide

[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide (PubChem CID 23523221) has the molecular formula C28H39N2- and a molecular weight of 403.63 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
PubChem CID23523221
Molecular FormulaC28H39N2-
Molecular Weight403.63 g/mol
Exact Mass403.31
IUPAC Name[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
SMILESC=C([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H39N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,9H2,1-8,10H3/q-1/b30-22+
InChIKeyQBNGVWCSBITSFK-JBASAIQMSA-N
XLogP9.49
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.63
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
CID 102382050
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
CID 20750698
CID 102466319
CID 102466319
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
CID 139180324
N-[4-[2,6-di(propan-2-yl)phenyl]imino-3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pent-2-en-2-yl]-2-propan-2-ylaniline
CID 162409250

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide (CID 23523221) is [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide is C=C([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide?
The InChIKey is QBNGVWCSBITSFK-JBASAIQMSA-N. The full InChI is InChI=1S/C28H39N2/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8/h11-20H,9H2,1-8,10H3/q-1/b30-22+.
What are the key properties of [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide?
[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide has a molecular weight of 403.63 g/mol, XLogP of 9.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide is sourced from PubChem (CID 23523221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).